(2S)-3-ethylsulfanyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-ethylsulfanyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-3-ethylsulfanyl-propanoic acid CAS Name: (2S)-3-(ethylthio)-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: (2S)-2-[(2-benzyl-3-sulfanylpropanoyl)amino]-3-ethylsulfanylpropanoic acid Traditional Name: (2S)-2-[(2-benzyl-3-mercapto-propanoyl)amino]-3-(ethylthio)propionic acid Formula: C15H21NO3S2 MolecularWeight: 327.46214

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS

Isomeric SMILES

CCSC[C@H](C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS

InChI

InChI=1S/C15H21NO3S2/c1-2-21-10-13(15(18)19)16-14(17)12(9-20)8-11-6-4-3-5-7-11/h3-7,12-13,20H,2,8-10H2,1H3,(H,16,17)(H,18,19)/t12?,13-/m1/s1